[1-(1-ethoxycycloheptyl)-4,4,4-trifluorobutyl]hydrazine

C13H25F3N2O — CID 105278364

IUPAC[1-(1-ethoxycycloheptyl)-4,4,4-trifluorobutyl]hydrazine
SMILESCCOC1(C(CCC(F)(F)F)NN)CCCCCC1
InChIInChI=1S/C13H25F3N2O/c1-2-19-12(8-5-3-4-6-9-12)11(18-17)7-10-13(14,15)16/h11,18H,2-10,17H2,1H3
InChIKeyGKVVIGNLULASBA-UHFFFAOYSA-N
MW282.35 g/mol
LogP3.29
Rot. Bonds6

About [1-(1-ethoxycycloheptyl)-4,4,4-trifluorobutyl]hydrazine

[1-(1-ethoxycycloheptyl)-4,4,4-trifluorobutyl]hydrazine (PubChem CID 105278364) has the molecular formula C13H25F3N2O and a molecular weight of 282.35 g/mol. Its IUPAC name is [1-(1-ethoxycycloheptyl)-4,4,4-trifluorobutyl]hydrazine.

Molecular Properties

Compound Name[1-(1-ethoxycycloheptyl)-4,4,4-trifluorobutyl]hydrazine
PubChem CID105278364
Molecular FormulaC13H25F3N2O
Molecular Weight282.35 g/mol
Exact Mass282.19
IUPAC Name[1-(1-ethoxycycloheptyl)-4,4,4-trifluorobutyl]hydrazine
SMILESCCOC1(C(CCC(F)(F)F)NN)CCCCCC1
InChIInChI=1S/C13H25F3N2O/c1-2-19-12(8-5-3-4-6-9-12)11(18-17)7-10-13(14,15)16/h11,18H,2-10,17H2,1H3
InChIKeyGKVVIGNLULASBA-UHFFFAOYSA-N
XLogP3.29
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1-(1-ethoxycycloheptyl)-4,4,4-trifluorobutyl]hydrazine?
The IUPAC name of [1-(1-ethoxycycloheptyl)-4,4,4-trifluorobutyl]hydrazine (CID 105278364) is [1-(1-ethoxycycloheptyl)-4,4,4-trifluorobutyl]hydrazine.
What is the SMILES notation for [1-(1-ethoxycycloheptyl)-4,4,4-trifluorobutyl]hydrazine?
The canonical SMILES for [1-(1-ethoxycycloheptyl)-4,4,4-trifluorobutyl]hydrazine is CCOC1(C(CCC(F)(F)F)NN)CCCCCC1.
What is the InChIKey of [1-(1-ethoxycycloheptyl)-4,4,4-trifluorobutyl]hydrazine?
The InChIKey is GKVVIGNLULASBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O/c1-2-19-12(8-5-3-4-6-9-12)11(18-17)7-10-13(14,15)16/h11,18H,2-10,17H2,1H3.
What are the key properties of [1-(1-ethoxycycloheptyl)-4,4,4-trifluorobutyl]hydrazine?
[1-(1-ethoxycycloheptyl)-4,4,4-trifluorobutyl]hydrazine has a molecular weight of 282.35 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-ethoxycycloheptyl)-4,4,4-trifluorobutyl]hydrazine is sourced from PubChem (CID 105278364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).